SCHEMBL698486

SCHEMBL698486

O=C(O)c1ccc2c(cnc3c[nH]nc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
PARP1 P09874 1/20 0.40
PTPN1 P18031 1/20 0.39
CSNK2A1 P68400 9/20 0.37
CSNK2A2 P19784 7/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
CSNK2B P67870 5/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ESR2 Q92731 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL695375 0.72 MGAM (0.43) MGAMPARP1PTPN1CSNK2A1CSNK2A2
SCHEMBL5174792 0.72 TDP1 (0.53) KDM4ETDP1HSP90AA1ESR2
SCHEMBL25401469 0.68 TDP1 (0.53) KDM4ERECQLTDP1HSP90AA1ESR2
SCHEMBL1759259 0.68 MGAM (0.47) MGAMKDM4ETDP1GABRPGABRD
SCHEMBL10465639 0.68 MGAM (0.70) MGAMKDM4EPDGFRBPDGFRATDP1
SCHEMBL28563733 0.67 TDP1 (0.47) MGAMCSNK2A2KDM4ECSNK2BTDP1
SCHEMBL28327537 0.67 KDM4E (0.55) MGAMPARP1PTPN1CSNK2A1CSNK2A2
SCHEMBL69368 0.66 MGAM (0.68) MGAMKDM4EPDGFRBPDGFRATDP1
SCHEMBL14320411 0.66 KMT2A (0.40) KDM4EPDGFRBPDGFRATDP1
SCHEMBL4995210 0.65 PARP1 (0.51) PARP1PTPN1CSNK2A1CSNK2A2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO disclosed